SCHEMBL7541280

SCHEMBL7541280

CC(C)(C)[C@H](Cc1ccccc1)C(=O)NC(Cc1ccc(OCC2CCCCC2)cc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MME P08473 5/20 0.52
ACE P12821 5/20 0.52
CPA1 P15085 5/20 0.52
ACE2 Q9BYF1 5/20 0.52
YAP1 P46937 1/20 0.48
GPR88 Q9GZN0 2/20 0.47
ITGB3 P05106 5/20 0.47
ITGA2B P08514 5/20 0.47
ITGAV P06756 1/20 0.46
LTA4H P09960 1/20 0.46
PPARG P37231 1/20 0.45
MMP1 P03956 1/20 0.45
MMP3 P08254 1/20 0.45
MMP9 P14780 1/20 0.45
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7541287 1.00 MME (0.52) MMEACECPA1ACE2YAP1
SCHEMBL7541284 1.00 MME (0.52) MMEACECPA1ACE2YAP1
SCHEMBL7539252 0.92 ALDH1A1 (0.50) YAP1GPR88PPARGMMP1MMP3
SCHEMBL7539258 0.92 ALDH1A1 (0.50) YAP1GPR88PPARGMMP1MMP3
SCHEMBL7539256 0.92 ALDH1A1 (0.50) YAP1GPR88PPARGMMP1MMP3
SCHEMBL7538205 0.91 MMP1 (0.55) MMEACECPA1ACE2YAP1
SCHEMBL7538473 0.89 MMP1 (0.52) MMEACECPA1ACE2ITGB3
SCHEMBL7539795 0.87 ITGB3 (0.48) MMEACECPA1ACE2YAP1
SCHEMBL7541768 0.87 MME (0.49) MMEACECPA1ACE2YAP1
SCHEMBL7541764 0.87 MME (0.49) MMEACECPA1ACE2YAP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1209147-A1 CARBOXYLIC ACID DERIVATIVES AND ADHESION MOLECULE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2002-05-29 EP disclosed